SEQ2FUN

BioLiP

PDB CCD ID: 6YD
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N7 O2
InChI: InChI=1S/C15H15N7O2/c1-21-7-9(6-17-21)10-4-3-5-11(18-10)15(24)19-12-8-22(2)20-13(12)14(16)23/h3-8H,1-2H3,(H2,16,23)(H,19,24)
InChIKey: XTVOMCVEGADMQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(nc3C(=O)N)C
CACTVS 3.385Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(C)nc3C(N)=O
Name:~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
ChEMBL: CHEMBL3353206
ZINC: ZINC000205771871
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).